1-[4-[(1E,4Z)-2,6-dimethyl-3-methylidenehepta-1,4,6-trienyl]-3-ethylphenyl]-4-[4-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalene

C55H46 — CID 143743553

IUPAC1-[4-[(1E,4Z)-2,6-dimethyl-3-methylidenehepta-1,4,6-trienyl]-3-ethylphenyl]-4-[4-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalene
SMILESC=C(C)/C=C\C(=C)/C(C)=C/c1ccc(-c2ccc(-c3ccc(-c4ccc5cc(-c6ccc(C)cc6)ccc5c4)c4ccccc34)c3ccccc23)cc1CC
InChIInChI=1S/C55H46/c1-7-40-33-46(26-24-42(40)32-39(6)38(5)19-16-36(2)3)48-28-30-54(52-14-10-8-12-50(48)52)55-31-29-49(51-13-9-11-15-53(51)55)47-27-25-44-34-43(22-23-45(44)35-47)41-20-17-37(4)18-21-41/h8-35H,2,5,7H2,1,3-4,6H3/b19-16-,39-32+
InChIKeyDMDNSOHDLHEZCY-IZLYPKTASA-N
MW706.97 g/mol
LogP15.78
Rot. Bonds9

About 1-[4-[(1E,4Z)-2,6-dimethyl-3-methylidenehepta-1,4,6-trienyl]-3-ethylphenyl]-4-[4-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalene

1-[4-[(1E,4Z)-2,6-dimethyl-3-methylidenehepta-1,4,6-trienyl]-3-ethylphenyl]-4-[4-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalene (PubChem CID 143743553) has the molecular formula C55H46 and a molecular weight of 706.97 g/mol. Its IUPAC name is 1-[4-[(1E,4Z)-2,6-dimethyl-3-methylidenehepta-1,4,6-trienyl]-3-ethylphenyl]-4-[4-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalene.

Molecular Properties

Compound Name1-[4-[(1E,4Z)-2,6-dimethyl-3-methylidenehepta-1,4,6-trienyl]-3-ethylphenyl]-4-[4-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalene
PubChem CID143743553
Molecular FormulaC55H46
Molecular Weight706.97 g/mol
Exact Mass706.36
IUPAC Name1-[4-[(1E,4Z)-2,6-dimethyl-3-methylidenehepta-1,4,6-trienyl]-3-ethylphenyl]-4-[4-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalene
SMILESC=C(C)/C=C\C(=C)/C(C)=C/c1ccc(-c2ccc(-c3ccc(-c4ccc5cc(-c6ccc(C)cc6)ccc5c4)c4ccccc34)c3ccccc23)cc1CC
InChIInChI=1S/C55H46/c1-7-40-33-46(26-24-42(40)32-39(6)38(5)19-16-36(2)3)48-28-30-54(52-14-10-8-12-50(48)52)55-31-29-49(51-13-9-11-15-53(51)55)47-27-25-44-34-43(22-23-45(44)35-47)41-20-17-37(4)18-21-41/h8-35H,2,5,7H2,1,3-4,6H3/b19-16-,39-32+
InChIKeyDMDNSOHDLHEZCY-IZLYPKTASA-N
XLogP15.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.97
LogP ≤ 515.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-[4-[(1E,4Z)-2,6-dimethyl-3-methylidenehepta-1,4,6-trienyl]-3-ethylphenyl]-4-[4-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalene with MolForge

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Related Compounds

1-methyl-4-[4-[4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalene
CID 59169275
2-(3-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-2-ylchrysene
CID 161318804
6-methyl-2,4-dinaphthalen-2-ylquinoline
CID 164677204
1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-5-(4-methylphenyl)naphthalene
CID 143516756
1,5-bis(4-methylnaphthalen-1-yl)naphthalene;1,5-bis(6-methylnaphthalen-2-yl)naphthalene;1-(3-ethenyl-4-methylphenyl)-5-(4-methylnaphthalen-1-yl)naphthalene
CID 159364327
4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 161364100
1-(4-tert-butylphenyl)-4-[4-[4-[6-(4-tert-butylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalene
CID 59169238
1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 158274717
9-ethyl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene
CID 159616187
1-ethyl-7-naphthalen-1-yl-3-phenylnaphthalene
CID 145347928
2-ethyl-4-phenylbenzaldehyde
CID 87968483
2,7-bis(3-phenylnaphthalen-2-yl)phenanthrene;2,9-diphenyl-7-(3-phenylnaphthalen-2-yl)phenanthrene;2-(3,4-diphenylphenyl)-7-(3-phenylnaphthalen-2-yl)phenanthrene;2-(4-methylphenyl)-9-phenyl-7-(3-phenylnaphthalen-2-yl)phenanthrene;2-naphthalen-1-yl-9-phenyl-7-(3-phenylnaphthalen-2-yl)phenanthrene;2-naphthalen-2-yl-9-phenyl-7-(3-phenylnaphthalen-2-yl)phenanthrene
CID 162038318

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1E,4Z)-2,6-dimethyl-3-methylidenehepta-1,4,6-trienyl]-3-ethylphenyl]-4-[4-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalene?
The IUPAC name of 1-[4-[(1E,4Z)-2,6-dimethyl-3-methylidenehepta-1,4,6-trienyl]-3-ethylphenyl]-4-[4-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalene (CID 143743553) is 1-[4-[(1E,4Z)-2,6-dimethyl-3-methylidenehepta-1,4,6-trienyl]-3-ethylphenyl]-4-[4-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalene.
What is the SMILES notation for 1-[4-[(1E,4Z)-2,6-dimethyl-3-methylidenehepta-1,4,6-trienyl]-3-ethylphenyl]-4-[4-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalene?
The canonical SMILES for 1-[4-[(1E,4Z)-2,6-dimethyl-3-methylidenehepta-1,4,6-trienyl]-3-ethylphenyl]-4-[4-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalene is C=C(C)/C=C\C(=C)/C(C)=C/c1ccc(-c2ccc(-c3ccc(-c4ccc5cc(-c6ccc(C)cc6)ccc5c4)c4ccccc34)c3ccccc23)cc1CC.
What is the InChIKey of 1-[4-[(1E,4Z)-2,6-dimethyl-3-methylidenehepta-1,4,6-trienyl]-3-ethylphenyl]-4-[4-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalene?
The InChIKey is DMDNSOHDLHEZCY-IZLYPKTASA-N. The full InChI is InChI=1S/C55H46/c1-7-40-33-46(26-24-42(40)32-39(6)38(5)19-16-36(2)3)48-28-30-54(52-14-10-8-12-50(48)52)55-31-29-49(51-13-9-11-15-53(51)55)47-27-25-44-34-43(22-23-45(44)35-47)41-20-17-37(4)18-21-41/h8-35H,2,5,7H2,1,3-4,6H3/b19-16-,39-32+.
What are the key properties of 1-[4-[(1E,4Z)-2,6-dimethyl-3-methylidenehepta-1,4,6-trienyl]-3-ethylphenyl]-4-[4-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalene?
1-[4-[(1E,4Z)-2,6-dimethyl-3-methylidenehepta-1,4,6-trienyl]-3-ethylphenyl]-4-[4-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalene has a molecular weight of 706.97 g/mol, XLogP of 15.78, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1E,4Z)-2,6-dimethyl-3-methylidenehepta-1,4,6-trienyl]-3-ethylphenyl]-4-[4-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalene is sourced from PubChem (CID 143743553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).